SCHEMBL1625

SCHEMBL1625

Cc1noc(-c2ccc(Br)cc2)c1C(C=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
MAPT P10636 1/20 0.33
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB4 P21439 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
BRD4 O60885 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6496 0.89 TP53 (0.37) ARLPAR1LPAR3LMNARAB9A
SCHEMBL1909 0.81 LPAR1 (0.36) ARLPAR1LPAR3LMNARAB9A
SCHEMBL1925 0.81 LPAR1 (0.36) ARLPAR1LPAR3LMNARAB9A
SCHEMBL2612 0.80 LPAR1 (0.46) LPAR1LPAR3RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1933 0.78 EPHX1 (0.34) LPAR1LPAR3LMNARAB9ASMN1; SMN2
SCHEMBL6672 0.77 TP53 (0.37) LPAR1LPAR3LMNARAB9ASMN1; SMN2
SCHEMBL6830 0.77 RAB9A (0.34) LPAR1LPAR3LMNARAB9ASMN1; SMN2
SCHEMBL1924 0.76 AR (0.38) ARLPAR1LPAR3LMNARAB9A
SCHEMBL1908 0.76 AR (0.38) ARLPAR1LPAR3LMNARAB9A
SCHEMBL6561 0.74 LPAR1 (0.34) LPAR1LPAR3RAB9ASMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed